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SECTION 1. CHEMICAL IDENTIFICATION

CHEMINFO Record Number: 560
CCOHS Chemical Name: n-Octyl acetate

Synonyms:
Acetate C-8
Acetic acid, octyl ester
Caprylyl acetate
Octyl acetate (non-specific name)
Octyl alcohol acetate
1-Octanol acetate
n-Octanyl acetate
1-Octyl acetate

CAS Registry Number: 112-14-1
RTECS Number(s): AJ1400000
Chemical Family: Aliphatic carboxylic acid ester / saturated aliphatic carboxylic acid ester / saturated aliphatic monocarboxylic acid ester / alkyl alkanoate / acetic acid ester / acetate / octyl ester
Molecular Formula: C1O-H2O-O2
Structural Formula: CH3-(CH2)6-CH2-O-C(=O)-CH3

SECTION 2. DESCRIPTION

Appearance and Odour:
Colourless liquid with a floral-fruity odour.(2)

Odour Threshold:
Not available

Warning Properties:
Insufficient information for evaluation.

Composition/Purity:
n-Octyl acetate is commercially available in grades with purity of greater than 98%.(3)

Uses and Occurrences:
n-Octyl acetate is used as a solvent; as a flavouring agent in foods; and in perfumes.(1,2,5) It is found naturally in oils of green tea and several other plant oils.(1)


SECTION 3. HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW:
Colourless liquid with a floral-fruity odour. COMBUSTIBLE LIQUID AND VAPOUR. Can release vapours that form explosive mixtures with air at, or above 86 deg C (187 deg F). Essentially non-toxic following short-term exposure.



POTENTIAL HEALTH EFFECTS

Effects of Short-Term (Acute) Exposure

Inhalation:
n-Octyl acetate probably does not form high vapour concentrations at normal temperatures and it is unlikely to present a vapour inhalation hazard. Vapours from heated solutions or mists can probably cause eye, nose and throat irritation. High concentrations can probably cause symptoms of central nervous system (CNS) depression, such as headache, nausea, dizziness, drowsiness and confusion). Some related acetates have caused these effects.

Skin Contact:
The liquid probably causes no to slight irritation, based on animal and human information. No irritation was experienced by volunteers following application of an 8% solution in petrolatum under a closed patch for 48 hours.(1)

Eye Contact:
The liquid may cause slight to moderate irritation, based on comparison to other acetates. There is no human or animal information available for n-octyl acetate.

Ingestion:
In low concentrations, n-octyl acetate is used as a synthetic flavouring agent in foods.(5) Ingestion of high concentrations may result in irritation of the mouth and throat. Large amounts may produce signs of central nervous system (CNS) depression such as headache, nausea, dizziness, drowsiness and confusion, based on comparison to other acetates. Ingestion is not a typical route of occupational exposure.

Effects of Long-Term (Chronic) Exposure

Skin:
n-Octyl acetate can probably remove natural oils from the skin, resulting in dryness, redness and itching (dermatitis), based on comparison to other acetates.

Skin Sensitization:
No sensitization was observed when a 8% solution in petrolatum was tested in a maximization test with 31 volunteers.(1)

Carcinogenicity:

There is no human or animal information available.

The International Agency for Research on Cancer (IARC) has not evaluated the carcinogenicity of this chemical.

The American Conference of Governmental Industrial Hygienists (ACGIH) has no listing for this chemical.

The US National Toxicology Program (NTP) has not listed this chemical in its report on carcinogens.

Teratogenicity and Embryotoxicity:
There is no human or specific animal information available. One animal study suggests that octyl acetates do not cause developmental effects, in the absence of harmful effects on the mothers.

Reproductive Toxicity:
There is no human or animal information available.

Mutagenicity:
There is no information available.

Toxicologically Synergistic Materials:
There is no information available.

Potential for Accumulation:
n-Octyl acetate probably does not accumulate in the body, based on information for related acetates. It is expected to be hydrolyzed in the body to form 1-octanol and acetic acid.(5)


SECTION 4. FIRST AID MEASURES

Inhalation:
If symptoms are experienced, remove source of contamination or move victim to fresh air.

Skin Contact:
Quickly and gently blot or brush away excess chemical. Wash gently and thoroughly with water and non-abrasive soap for 5 minutes or until chemical is removed.

Eye Contact:
Quickly and gently blot or brush away excess chemical. Immediately flush the contaminated eye(s) with lukewarm, gently flowing water for 20 minutes, by the clock, holding the eyelid(s) open. Obtain medical advice immediately.

Ingestion:
If irritation or discomfort occur, obtain medical advice immediately.

First Aid Comments:
All first aid procedures should be periodically reviewed by a doctor familiar with the material and its conditions of use in the workplace.



SECTION 5. FIRE FIGHTING MEASURES

Flash Point:
86.1 deg C (187 deg F) (closed cup) (3)

Lower Flammable (Explosive) Limit (LFL/LEL):
0.76% (3)

Upper Flammable (Explosive) Limit (UFL/UEL):
8.14% (3)

Autoignition (Ignition) Temperature:
268.3 deg C (515 deg F) (3)

Sensitivity to Mechanical Impact:
No specific information is available. Probably not sensitive. Stable material.

Sensitivity to Static Charge:
No specific information is available. n-Octyl acetate will probably not accumulate static charge, since related acetates have high electrical conductivities. Since the flash point of n-octyl acetate is high, vapour in the flammable range will probably not be ignited by a static discharge.

Electrical Conductivity:
Not available

Minimum Ignition Energy:
Not available

Combustion and Thermal Decomposition Products:
Carbon monoxide and carbon dioxide. Incomplete combustion may also produce irritating fumes and acrid smoke.

Fire Hazard Summary:
Combustible liquid. Can form explosive mixtures with air, at, or above 86.1 deg C (187 deg F). During a fire, irritating/toxic smoke and fumes may be generated. Closed containers may rupture violently and suddenly release large amounts of product when exposed to fire or excessive heat for a sufficient period of time.

Extinguishing Media:
Carbon dioxide, dry chemical powder, "alcohol resistant fire-fighting foams", water spray or fog.(3,4) Foam manufacturers should be consulted for recommendations regarding types of foams and application rates.

Fire Fighting Instructions:
Evacuate area and fight fire from a safe distance or protected location. Approach fire from upwind to avoid toxic decomposition products.
Closed containers may rupture violently when exposed to the heat of fire and suddenly release large amounts of products. Stay away from ends of tanks, but be aware that flying material (shrapnel) from ruptured tanks may travel in any direction.
If possible, isolate materials not yet involved in the fire, and move containers from fire area if this can be done without risk, and protect personnel. Otherwise, cool fire-exposed containers, tanks or equipment by applying hose streams. Cooling should begin as soon as possible (within several minutes) and should concentrate on any unwetted portions of the container. Apply water from the side and a safe distance. Cooling should continue until well after the fire is out. If this is not possible, use unmanned monitor nozzles and immediately evacuate the area.
If a leak or spill has not ignited, use water spray in large quantities to disperse the vapours and to protect personnel attempting to stop a leak. Water spray can be used to flush spills away from ignition sources. Solid streams of water may be ineffective and spread material.
For an advanced or massive fire in a large area, use unmanned hose holders or monitor nozzles; if this is not possible withdraw from fire area and allow the fire to burn. Withdraw immediately in case of rising sound from venting safety device or any discolouration of tank.

Protection of Fire Fighters:
n-Octyl acetate is slightly hazardous to health. Firefighters may enter the area if positive pressure self-contained breathing apparatus (NIOSH approved or equivalent) and full Bunker Gear is worn.



NATIONAL FIRE PROTECTION ASSOCIATION (NFPA) HAZARD IDENTIFICATION

NFPA - Comments:
NFPA has no listing for this chemical in Codes 49 or 325.


SECTION 9. PHYSICAL AND CHEMICAL PROPERTIES

Molecular Weight: 172.27

Conversion Factor:
1 ppm = 7.03 mg/m3; 1 mg/m3 = 0.142 ppm at 25 deg C (calculated)

Physical State: Liquid
Melting Point: -38.5 deg C (-37.3 deg F) (6,7,8)
Boiling Point: 210-211 deg C (410-411.8 deg F) (3,7,8,9)
Relative Density (Specific Gravity): 0.871 at 20 deg C (7); 0.868 at 25 deg C (3,9) (water = 1)
Solubility in Water: Insoluble (6,7)
Solubility in Other Liquids: Soluble in ethanol and diethyl ether (7)
Coefficient of Oil/Water Distribution (Partition Coefficient): Log P(oct) = 3.81 (estimated) (10)
pH Value: Not applicable
Acidity: Probably neutral
Viscosity-Dynamic: Not available
Surface Tension: Not available
Vapour Density: 5.94 (air = 1)
Vapour Pressure: Approximately 0.03 kPa (0.23 mm Hg) at 25 deg C based on comparison to 2-ethylhexyl acetate, a closely related acetate. A value of 0.937 kPa (7.03 mm Hg) at 20 deg C (6) has been reported, but is considered inaccurate.
Saturation Vapour Concentration: Approximately 300 ppm (0.03%) at 25 deg C.
Evaporation Rate: Not available
Henry's Law Constant: Not available

SECTION 10. STABILITY AND REACTIVITY

Stability:
Stable in the anhydrous state. May slowly hydrolyze to acetic acid and 1-octanol in the presence of water.(4)

Hazardous Polymerization:
Does not polymerize.

Incompatibility - Materials to Avoid:

NOTE: Chemical reactions that could result in a hazardous situation (e.g. generation of flammable or toxic chemicals, fire or detonation) are listed here. Many of these reactions can be done safely if specific control measures (e.g. cooling of the reaction) are in place. Although not intended to be complete, an overview of important reactions involving common chemicals is provided to assist in the development of safe work practices.


OXIDIZING AGENTS (e.g. nitrates, perchlorates, peroxides) - reaction can be violent. Increased risk of fire and explosion.(3)
STRONG ACIDS (e.g. sulfuric acid, oleum, and chlorosulfonic acid) or STRONG BASES (e.g. potassium hydroxide) - decomposition (hydrolysis) can occur, releasing heat. The reaction may be vigorous and there is a risk of fire and explosions.(3)

Hazardous Decomposition Products:
Acetic acid.

Conditions to Avoid:
Open flames, sparks, temperatures above 86 deg C, heat and other ignition sources.

Corrosivity to Metals:
Octyl acetate (isomer not specified) is not corrosive to most metals at normal temperatures, such as carbon steel, cast iron, stainless steels (such as types 304/347 and 316), nickel and its alloys, aluminum, copper, bronze and brass, tantalum and titanium.(12)

Corrosivity to Non-Metals:
No specific information is available for n-octyl acetate. Amyl acetate (isomer(s) not specified), a related acetate, can attack plastics, such as acetonitrile-butadiene-styrene (ABS), acrylics, chlorinated polyvinyl chloride, polymethyl methacrylate, polypropylene, polyvinyl chloride and styrene-acrylonitrile (SA), elastomers, such as Butyl GR-1, ethylene-propylene terpolymer (EPT), Viton A (FKM), isoprene, Koroseal, natural rubber, neoprene, Nitrile Buna-N (NBR), Nordel (EPDM), polyether-urethane, polyurethane and silicone rubbers, and various epoxy coatings, such as coal tar epoxy, epoxy general purpose and epoxy chemical resistant. It does not attack fluorocarbons, such as FEP and Teflon, nylon, Halar, Tefzel, chlorinated polyether, Kynar, Chemraz, Hypalon, Kalrez, polyester, polyethylene and polyvinylidene chloride.(13,14)


SECTION 11. TOXICOLOGICAL INFORMATION

LD50 (oral, rat): 3000 mg/kg (1, original unavailable)

LD50 (dermal, rabbit): greater than 5000 mg/kg (1, unconfirmed)

Skin Irritation:

Limited information suggests that n-octyl acetate is a slight irritant.

Slight irritation was observed in rabbits when undiluted n-octyl acetate was applied to intact or abraded skin, under a closed patch.(1, unconfirmed)

Effects of Long-Term (Chronic) Exposure:

Low toxicity has been observed in rats in a 13-week study with oral exposure an unspecified commercial mixture of octyl acetates.

Ingestion:
The following results were obtained for commercial octyl acetate, a mixture of acetates with branched alkyl groups, with C8 as the main constituent. Slight reductions in body weight and food consumption, increased liver and kidney weights, and evidence of a harmful effect on the kidneys that is specific to male rats were observed following oral administration of 1000 mg/kg/day for 13 weeks. The increased liver weight was judged to reflect a non-harmful response. No harmful effects were observed at 100 or 500 mg/kg/day.(16)

Teratogenicity, Embryotoxicity and/or Fetotoxicity:
For an unspecified commercial mixture of octyl acetates, a teratogenic effect was observed at a dose that also cause a harmful effect on the mothers.
There is no information available for n-octyl acetate specifically. The following results were obtained for commercial octyl acetate, a mixture of acetates with branched alkyl groups, with C8 as the main constituent. Teratogenicity (an increase in litters with at least one malformed fetus and in the average proportion of offspring in each litter that were malformed) was observed in rats following oral administration of 1000 mg/kg/day during pregnancy. Maternal toxicity (2 deaths and obvious signs of toxicity) was observed at this dose level. No harmful effects on the embryo or fetus were observed at 100 or 500 mg/kg/day.(15)


SECTION 16. OTHER INFORMATION

Selected Bibliography:
(1) Opdyke, D.L.J., ed. Acetate C-8. In: Monographs on fragrance raw materials: a collection of monographs originally appearing in Food and Cosmetics Toxicology. Pergamon Press, 1979. p. 22-23
(2) Lewis, Sr., R.J., ed. n-Octyl acetate. Hawley's condensed chemical dictionary. [CD-ROM]. 14th ed. John Wiley and Sons, Inc., 2002
(3) Octyl acetate, 99+%. In: Sigma-Aldrich Fine Chemicals: technical library [online]. Sigma-Aldrich Corporation. MSDS. Valid 2002-02 - 2002-04. Available at: <www.sigma-aldrich.com/saws.nsf/Technical+Library?OpenFrameset> (Password required)
(4) Tau, K. D, et al. Esters, organic. In: Kirk-Othmer encyclopedia of chemical technology. 4th ed. Vol. 9. John Wiley and Sons, 1994. p. 781-812
(5) Evaluation of certain food additives and contaminants. Forty-ninth report of the Joint FAO/WHO Expert Committee of Food Additives. World Health Organization Technical Report Series. Vol. 884 (1999).
(6) Bisesi, M.S. Esters of mono- and alkenyl carboxylic acids and mono- and polyalcohols. In: Patty's toxicology. 5th ed. Edited by E. Bingham, et al. Vol. 6. John Wiley and Sons, Inc., 2001. p. 560
(7) (CRC) Lide, D., ed. Handbook of chemistry and physics. [CD-ROM]. Chapman and Hall/CRCnetBASE, 1999
(8) Syracuse Research Corporation. The Physical Properties Database (PHYSPROP). Interactive PhysProp Database Demo. Date unknown. Available at: <esc-plaza.syrres.com/interkow/physdemo.htm>
(9) Dean, J.A. Lange's handbook of chemistry. 15th ed. McGraw-Hill, Inc., 1999. p. 1.289
(10) Syracuse Research Corporation. Interactive LogKow (KowWin) Database Demo [online]. Date unknown. Available at: <esc-plaza.syrres.com/interkow/kowdemo.htm>
(11) Blank
(12) Corrosion data survey: metals section. 6th ed. National Association of Corrosion Engineers, 1985. p. 92-1 to 93-1
(13) Schweitzer, P.A. Corrosion resistance tables: metals, nonmetals, coatings, mortars, plastics, elastomers and linings, and fabrics. 4th ed. Part A, A-D. Marcel Dekker, Inc., 1995. p. 277-280
(14) Corrosion data survey: nonmetals section. 5th ed. National Association of Corrosion Engineers, 1983. p. 49 (1-18) to 50 (1-6)
(15) Daughtrey, W.C., et al. Evaluation of the teratogenic potential of octyl acetate in rats. Fundamental and Applied Toxicology. Vol. 13, no. 2 (1989). p. 303-309
(16) Daughtrey, W.C., et al. A subchronic toxicity study of octyl acetate in rats. Fundamental and Applied Toxicology. Vol. 12, no. 2 (1989). p. 313-320
(17) Occupational Safety and Health Administration (OSHA). Organics in Air. In: OSHA Analytical Methods Manual. Revision Date: Oct. 31, 2001. Available at: <www.osha-slc.gov/dts/sltc/methods/toc>
(18) National Institute for Occupational Safety and Health (NIOSH). Esters 1. In: NIOSH Manual of Analytical Methods (NMAM(R)). 4th ed. Edited by M.E. Cassinelli, et al. DHHS (NIOSH) Publication 94-113 (Aug. 1994). Available at: <www.cdc.gov/niosh/nmam/nmammenu.html>

Information on chemicals reviewed in the CHEMINFO database is drawn from a number of publicly available sources. A list of general references used to compile CHEMINFO records is available in the database Help.


Review/Preparation Date: 2003-10-07



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